Teflubenzuron

The Teflubenzuron, with the CAS registry number 83121-18-0, is also known as 1-(3,5-Dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)urea. It belongs to the product categories of Alpha sort; Growth regulators Pesticides & Metabolites; Insecticides; Pesticides; Q-ZAlphabetic; TA - TE. This chemical's molecular formula is C₁₄H₆Cl₂F₄N₂O₂ and molecular weight is 381.11. What's more, its systematic name is N-[(3,5-Dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide. Its classification codes are: (1)Insecticide; (2)Agricultural Chemical. This chemical is a kind of insect growth regulators. It is effective against development of house fly larvae. It should be sealed and stored in a cool, ventilated and dry place.

Physical properties of Teflubenzuron are: (1)ACD/LogP: 5.017; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 3743.06; (6)ACD/BCF (pH 7.4): 1399.99; (7)ACD/KOC (pH 5.5): 12491.05; (8)ACD/KOC (pH 7.4): 4671.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 78.851 cm³; (15)Molar Volume: 231.487 cm³; (16)Polarizability: 31.259×10^-24cm³; (17)Surface Tension: 51.44 dyne/cm; (18)Density: 1.646 g/cm³.

Preparation: this chemical can be prepared by 2,6-Difluorobenzamide and 2, 4-difluoro-3, 5-dichlorophenylisocyanate. It can also be prepared by 2,6-Difluorobenzoyl isocyanate and 2,4-difluoro-3, 5-dichloroaniline at the room temperature. This reaction will need solvent toluene with the reaction time of 15 hours.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(F)c(Cl)c1F)NC(=O)NC(=O)c2c(F)cccc2F
(2)Std. InChI: InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
(3)Std. InChIKey: CJDWRQLODFKPEL-UHFFFAOYSA-N

The toxicity data is as follows: